水环境中病毒检测技术研究进展

综述了水环境病毒检测技术的研究进展。介绍了过滤法、吸附法、离心法、混凝法等水环境病毒富集方法的原理和优缺点;总结了基于聚合酶链式反应(PCR),包括巢式PCR、多重PCR、实时荧光定量PCR、细胞联合培养PCR和数字PCR,以及高通量测序等分子生物学技术在水环境病毒检测中的应用;指出了水环境中病毒检测技术当前存在的问题和未来发展方向,为水环境中病毒的检测与管控提供技术支撑。     

漆酶降解阴离子型聚丙烯酰胺/聚丙烯酸酯活性的理性设计

为探究漆酶降解聚丙烯酸酯（PAA）/阴离子型聚丙烯酰胺（HPAM）的微观机理,采用对接模拟了其结构模型与枯草芽孢杆菌漆酶（B. subtilis laccase）的结合.根据-CDOCKER_Energy score打分最高的原则,对获得的最佳结合构象进行分析.然后基于亲和力虚拟氨基酸突变进行丙氨酸（ALA）扫描和饱和突变.结合模式分析表明,HPAM比PAA可更深地埋入活性口袋,B. subtilis laccase对HPAM的亲和力和结合能皆高于PAA.相互作用分析表明,疏水相互作用可能对B. subtilis laccase与底物的结合起到促进作用,而氢键作用会阻碍该酶与底物的结合.通过ALA扫描进一步得知,ARG487、GLY486和TYR133是B. subtilis laccase降解HPAM的关键氨基酸残基,而ASP113和TYR133是B. subtilis laccase降解PAA的关键氨基酸残基.通过饱和突变表明,ASP113>ARG可以提高B. subtilis laccase降解PAA的活性,这些数据为理性设计增强活性的B. subtilis laccase突变体提供了理论参考.     

沉管隧道对接端深基坑止水墙水下爆破对周围环境的影响研究

基于爆破动态效应的现场监测数据,研究了襄阳汉江鱼梁州沉管隧道对接端深基坑止水墙水下爆破对邻近建(构)筑物和周围水域的不利影响.结果 表明:爆源附近方圆50 rn范围内属于爆破振动近场区、方圆50～150 m范围内属于爆破振动过渡区、方圆150 m范围外属于爆破振动远场区;爆破振动近场区内薄壁支护结构爆破振动速度呈现高峰...     

Characterization on the toxic mechanism of two fluoroquinolones to trypsin by spectroscopic and computational methods

Abstract

Ciprofloxacin (CPFX) and enrofloxacin (ENFX), two of the most widely used fluoroquinolones (FQs), pose a great threat to humans and the ecosystem. In this study, the toxic mechanisms between the two FQs and trypsin were evaluated by means of multiple spectroscopic methods, as well as molecular docking. During the fluorescence investigations, both FQs quenched the intrinsic fluorescence of trypsin effectively, which was due to the formation of moderately strong complexes (mainly through van der Waals forces and hydrogen bonds). The binding of two FQs not only caused the conformational and micro-environmental changes of trypsin, but also changed its molecular activity; shown by the UV–Visible absorption spectroscopy, synchronous fluorescence spectroscopy, and functional tests. The established methods in this work can help to comprehensively understand the transport of FQs in the human body.     

Interaction of bisphenol A with dissolved organic matter in extractive and adsorptive removal processes

The fate of endocrine disrupting chemicals (EDCs) in natural and engineered systems is complicated due to their interactions with various water constituents. This study investigated the interaction of bisphenol A (BPA) with dissolved organic matter (DOM) and colloids present in surface water and secondary effluent as well as its adsorptive removal by powdered activated carbons. The solid phase micro-extraction (SPME) method followed by thermal desorption and gas chromatography-mass spectrometry (GC-MS) was utilized for determining the distribution of BPA molecules in water. The BPA removal by SPME decreased with the increased DOM content, where the formation of BPA-DOM complexes in an aqueous matrix was responsible for the reduced extraction of BPA. Colloidal particles in water samples sorbed BPA leading to the marked reduction of liquid phase BPA. BPA-DOM complexes had a negative impact on the adsorptive removal of BPA by powered activated carbons. The complex formation was characterized based on Fourier transform infrared (FTIR) and ultraviolet-visible (UV-Vis) spectroscopy, along with the calculation of molecular interactions between BPA and functional groups in DOM. It was found that the hydrogen bonding between DOM and BPA would be preferred over aromatic interactions. A pseudo-equilibrium molecular coordination model for the complexation between a BPA molecule and a hydroxyl group of the DOM was developed, which enabled estimation of the maximum sorption site and complex formation constant as well as prediction of organic complexes at various DOM levels.     

Enhancement effect of water associated with natural organic matter (NOM) on organic compound-NOM interactions: a case study with carbamazepine

Natural organic matter (NOM) in soils and sediments is recognized to strongly affect environmental distributions of organic compounds. Water associated with NOM may have a significant impact on NOM-organic compound interactions. The objectives of this research were (1) to determine the effect of hydration of a model NOM sorbent on interactions with a probe organic compound, carbamazepine (CBZ), and (2) based on the comparison with the literature data, to evaluate the effect of organic compound structure on the cooperative participation of water molecules in organic sorbate-NOM interactions. CBZ is one of the most widely reported water pollutants from the pharmaceutical and personal care products family. Therefore, CBZ sorption on Pahokee peat was compared from water and from n-hexadecane, using solubility-normalized solute concentrations. CBZ-NOM interactions were enhanced by one to two orders of magnitudes when NOM became fully hydrated. This enhancement is associated with the distinct ability of CBZ to undergo strong, specific interactions with NOM which was revealed by comparing the transfer of CBZ and another model sorbate, phenanthrene, from solution in n-hexadecane to the hydrated NOM sorbent. The enhancing effect of NOM hydration on CBZ-NOM interactions was also observed when CBZ sorption was examined on partially hydrated NOM. In comparison with a smaller-size organic sorbate such as phenol, CBZ needs more NOM-associated water in order to demonstrate the strengthening of interactions with NOM. Therefore, for penetration of the larger sorbate molecules into the NOM interior, a greater number of water molecules are needed to compensate for the local NOM disintegration thus suggesting the greater extent of the cooperativity in an involvement of water molecules in the CBZ-NOM interactions.     

Adsorption behavior of 17α-ethynylestradiol onto soils followed by fluorescence spectral deconvolution

In this study, a simple and rapid procedure for monitoring adsorption of 17α-ethynylestradiol (EE2) onto soil samples was developed. The used method is based on a multiwavelength fluorescence spectral deconvolution (FSD) where the emission fluorescence spectrum of a sample is considered as a linear combination of emission spectra, named reference spectra. The combination of the reference spectra allows the restitution of the shape of the emission spectrum of any unknown sample. This approach was applied to follow EE2 adsorption onto four soil samples and is an easy and low cost alternative.Adsorption experimental data showed a good fit with the Hill equation, mathematically equivalent to the Langmuir-Freundlich model assuming that the adsorption is a cooperative process influenced by adsorbate-adsorbate interactions. Molecular modelling studies clearly support the “co-operative adsorption” model, showing that after the adsorption of the first layer of EE2 molecules onto the soil, at least one more layer of EE2 is adsorbed, due to interactions established with the first adsorbed layer. Notwithstanding, packing a third row would imply interactions between two EE2 molecules that differ from the ones verified in the lowest energy structure, which also explains the plateau achieved in the adsorption curve.     

Alteration of acetylcholinesterase activity in Semele solida (MOLLUSCA: SEMELIDAE) as a biochemical response to coastal anthropogenic impact

Acetylcholinesterase (AChE) activity was analyzed as a molecular marker indicative of exposure to organophosphorus pesticide residues in individuals of the endemic clam species Semele solida in selected coastal locations of Chile's VIII Region. AChE activity was assayed in clams from (i) Penco Beach near the mouth of the Andalién River (Concepción Bay), (ii) Lenga Beach, near the mouth of the Lenga Estuary (San Vicente Bay), and (iii) Coliumo Beach, near the mouth of the Coliumo Estuary (Coliumo Bay). We also analyzed variations in protein content of clam hemolymph, and variability in the activity of AChE in relation to the sizes of the individual clams sampled. Collection of the clams was done using routine methods, during the spring of 2005, the period during which the use of pesticides is typically intensified in the surrounding forestry and agriculture. The results showed no significant correlation of AChE activity with either the size of the clam, or with the concentration of proteins in the hemolymph. The lowest AChE activity was observed in clams from mouth of the Andalién River (187.5 ± 34.9 Umin^?1) which was significantly less than that measured in specimens collected near the mouth of the Coliumo Estuary and the mouth of the Lenga Estuary. A very close relation was observed between the degree of anthropogenic inputs, ocean dynamics, and alterations in AChE activity in S. solida. This clam appears to be a useful indicator species, and AChE activity a sensitive marker for the presence of xenobiotics.     

Molecular characterization of root exudates using Fourier transform ion cyclotron resonance mass spectrometry

The release of root exudates (REs) provides an important source of soil organic carbon. This work revealed the molecular composition of REs of different plant species including alfalfa (Medicago sativa L.), bean (Phaseolus vulgaris L.), barley (Hordeum vulgare L.), maize (Zea mays), wheat (Triticum aestivum L.), ryegrass (Lolium perenne L.) and pumpkin (Cucurbita maxima) using electrospray ionization coupled with Fourier transform ion cyclotron resonance mass spectrometry (ESI FT-ICR MS). The combination of positive ion mode (+ESI) and negative ion mode (-ESI) increased the number of the molecules detected by ESI FT-ICR MS, and a total of 8758 molecules were identified across all the samples. In detail, lipids and proteins and unsaturated hydrocarbons were more easily detected in +ESI mode, while aromatic compounds with high O/C were readily ionized in -ESI mode, and only 38% of the total assigned formulas were shared by -ESI and +ESI modes. Multivariate statistical analysis of the formulas indicated that the close related plants species secreted REs with similar molecular components. Moreover, the unsaturation degree and nitrogen content were the two key parameters able to distinguish the similarities and differences of molecular components of REs between plant species. The results provided a feasible analysis method for characterization of the molecular components of REs and for the first time characterized the molecular components of REs of a variety of plant species using ESI FT-ICR MS.